(6-methyl-2-pyridinyl)acetic acid trifluoroacetic acid | 1337533-50-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (6-methyl-2-pyridinyl)acetic acid trifluoroacetic acid
• 英文别名: 2-(6-methylpyridin-2-yl)acetic acid trifluoroacetic acid；(6-methyI-2-pyridinyl)acetic acid trfluoroacetate；(6-methyl-2-pyridinyl)acetic acid TFA salt；2-(6-methylpyridin-2-yl)acetic acid;2,2,2-trifluoroacetic acid
• CAS: 1337533-50-2
• 化学式: C₂HF₃O₂*C₈H₉NO₂
• 分子量: 265.189
• InChiKey: APVDZDDQMMZNLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  87.5
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (6-methyl-2-pyridinyl)acetic acid trifluoroacetic acid 、 5-amino-3-(indolin-5-yl)-1-methyl-1H-pyrazole-4-carboxamide hydrochloride 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以70 mg的产率得到5-amino-1-methyl-3-(1-(2-(6-methylpyridin-2-yl)acetyl)indolin-5-yl)-1H-pyrazole-4-carboxamide
  参考文献：
  名称：

  [EN] INDOLINE DERIVATIVES AS INHIBITORS OF PERK
  [FR] DÉRIVÉS D'INDOLINE UTILISÉS COMME INHIBITEURS DE PERK

  摘要：

  公开号：

  WO2015056180A8
• 作为产物：
  描述：

  2-甲基-6-氯吡啶 在 chloro(2-di-t-butylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)[2-(2-aminoethyl)phenyl]palladium(lI) 三乙基硅烷 、 lithium hexamethyldisilazane 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 0.5h， 生成 (6-methyl-2-pyridinyl)acetic acid trifluoroacetic acid
  参考文献：
  名称：

  [EN] CHEMICAL COMPOUNDS
  [FR] COMPOSÉS CHIMIQUES

  摘要：

  公开号：

  WO2011119663A8

文献信息

• CHEMICAL COMPOUNDS
  申请人：Axten Jeffrey Michael

  公开号：US20120077828A1

  公开（公告）日：2012-03-29

  The invention is directed to substituted indoline derivatives. Specifically, the invention is directed to compounds according to Formula I: wherein R 1 , R 2 , and R 3 are defined herein. The compounds of the invention are inhibitors of PERK and can be useful in the treatment of cancer, ocular diseases, and diseases associated with activated unfolded protein response pathways, such as Alzheimer's disease, stroke, Type 1 diabetes Parkinson disease, Huntington's disease, amyotrophic lateral sclerosis, myocardial infarction, cardiovascular disease, atherosclerosis, and arrhythmias, and more specifically cancers of the breast, colon, pancreatic, and lung. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting PERK activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代的吲哚啉衍生物。具体而言，本发明涉及按式I所示的化合物：其中R1、R2和R3在此定义。本发明的化合物是PERK的抑制剂，可用于治疗癌症、眼部疾病和与激活的未折叠蛋白质应答途径相关的疾病，如阿尔茨海默病、中风、1型糖尿病帕金森病、亨廷顿病、肌萎缩性侧索硬化、心肌梗死、心血管疾病、动脉硬化和心律失常，更具体地，乳腺癌、结肠癌、胰腺癌和肺癌。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还涉及使用本发明化合物或包含本发明化合物的药物组合物抑制PERK活性和治疗相关疾病的方法。
• Chemical compounds
  申请人：Axten Jeffrey Michael

  公开号：US08598156B2

  公开（公告）日：2013-12-03

  The invention is directed to substituted indoline derivatives. Specifically, the invention is directed to compounds according to Formula I: wherein R1, R2, and R3 are defined herein. The compounds of the invention are inhibitors of PERK and can be useful in the treatment of cancer, ocular diseases, and diseases associated with activated unfolded protein response pathways, such as Alzheimer's disease, stroke, Type 1 diabetes Parkinson disease, Huntington's disease, amyotrophic lateral sclerosis, myocardial infarction, cardiovascular disease, atherosclerosis, and arrhythmias, and more specifically cancers of the breast, colon, pancreatic, and lung. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting PERK activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代的吲哚啉衍生物。具体而言，本发明涉及符合公式I的化合物：其中R1，R2和R3在此定义。本发明的化合物是PERK的抑制剂，可用于治疗癌症、眼部疾病以及与激活的未折叠蛋白质反应途径相关的疾病，例如阿尔茨海默病、中风、1型糖尿病、帕金森病、亨廷顿病、肌萎缩侧索硬化、心肌梗死、心血管疾病、动脉粥样硬化和心律失常，更具体地是乳腺癌、结肠癌、胰腺癌和肺癌。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还涉及使用本发明化合物或包含本发明化合物的药物组合物来抑制PERK活性和治疗与其相关的疾病的方法。
• US8598156B2
  申请人：——

  公开号：US8598156B2

  公开（公告）日：2013-12-03
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSÉS CHIMIQUES
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2011119663A8

  公开（公告）日：2012-10-26
• [EN] INDOLINE DERIVATIVES AS INHIBITORS OF PERK<br/>[FR] DÉRIVÉS D'INDOLINE UTILISÉS COMME INHIBITEURS DE PERK
  申请人：GLAXOSMITHKLINE IP NO 2 LTD

  公开号：WO2015056180A8

  公开（公告）日：2015-12-03